Geometry & MOs

Info

ID:	158801
PubChem CID:	56479309
Reduced:	SO3N4C25H32 (1)
Stoich.:	AB3C4D25E32 (1)
Weight, g/mol:	483.244582
ΔH_f, kcal/mol:	-97.99
Dipole, Da:	5.99
IP(EA), eV:	-8.3(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-[2-(5,6-difluorobenzimidazol-1-yl)-3-methylbutanoyl]piperidin-3-yl]methyl]-3-(4-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NCC2CCCN(C2)C(=O)C3CCCN3C(=O)CC4=CC=CS4

DOS

IR

Vibrations